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The Journal of Chemical Physics|February 10, 2017
Vibrational circular dichroism spectra for large molecules and molecules with heavy elementsKevin Reiter, Michael Kühn, Florian WeigendJournal of Chemical Theory and Computation|November 24, 2015
Implementation of Two-Component Time-Dependent Density Functional Theory in TURBOMOLEMichael Kühn, Florian WeigendThe Journal of Chemical Physics|December 16, 2014
Phosphorescence lifetimes of organic light-emitting diodes from two-component time-dependent density functional theoryMichael Kühn, Florian WeigendThe Journal of Chemical Physics|January 24, 2015
Two-component hybrid time-dependent density functional theory within the Tamm-Dancoff approximationMichael Kühn, Florian WeigendChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 20, 2011
Phosphorescence energies of organic light-emitting diodes from spin-flip Tamm-Dancoff approximation time-dependent density functional theoryMichael Kühn, Florian WeigendJournal of Chemical Theory and Computation|November 19, 2015
One-Electron Energies from the Two-Component GW MethodMichael Kühn, Florian WeigendJournal of Chemical Theory and Computation|December 13, 2017
Calculation of Magnetic Shielding Constants with meta-GGA Functionals Employing the Multipole-Accelerated Resolution of the Identity: Implementation and Assessment of Accuracy and EfficiencyKevin Reiter, Fabian Mack, Florian WeigendJournal of Chemical Theory and Computation|January 4, 2020
An Efficient Coupled-Perturbed Kohn-Sham Implementation of NMR Chemical Shift Computations with Local Hybrid Functionals and Gauge-Including Atomic OrbitalsCaspar Jonas Schattenberg, Kevin Reiter, Florian Weigend, et al.Dalton Transactions (Cambridge, England : 2003)|January 17, 2017
Optical properties of trinuclear metal chalcogenolate complexes - room temperature NIR fluorescence in [Cu2Ti(SPh)6(PPh3)2]Michael Kühn, Sergei Lebedkin, Florian Weigend, et al.Inorganic Chemistry|April 2, 2015
[(Pb6I8){Mn(CO)5}6](2-): an octahedral (M6X8)-like cluster with inverted bondingSilke Wolf, Kevin Reiter, Florian Weigend, et al.Pageof 17